DHR
Summary
| Name: | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE |
| Formula: | C8 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 149.147 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-hydroxy(4-hydroxyphenyl)ethanenitrile |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-hydroxy-2-(4-hydroxyphenyl)ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#CC(O)c1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](C#N)c1ccc(O)cc1 |
| SMILES | CACTVS | 3.341 | O[CH](C#N)c1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@@H](C#N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(C#N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | HOOOPXDSCKBLFG-MRVPVSSYSA-N |
